N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C10H14F3N3 — CID 124680535

IUPACN-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C10H14F3N3/c1-14-4-7-2-3-9-15-8(10(11,12)13)6-16(9)5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1
InChIKeyYMXLVISHWRLDKX-ZETCQYMHSA-N
MW233.24 g/mol
LogP1.68
Rot. Bonds2

About N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 124680535) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID124680535
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C10H14F3N3/c1-14-4-7-2-3-9-15-8(10(11,12)13)6-16(9)5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1
InChIKeyYMXLVISHWRLDKX-ZETCQYMHSA-N
XLogP1.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 124680535) is N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is YMXLVISHWRLDKX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-14-4-7-2-3-9-15-8(10(11,12)13)6-16(9)5-7/h6-7,14H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 233.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 124680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).